CID 87623402

1044679-59-5

Structural Information

Molecular Formula
C12H27N3O2
SMILES
CC(C)(C)OC(=O)NCCNCCCN(C)C
InChI
InChI=1S/C12H27N3O2/c1-12(2,3)17-11(16)14-9-8-13-7-6-10-15(4)5/h13H,6-10H2,1-5H3,(H,14,16)
InChIKey
OFYABVOAKGPVKK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[3-(dimethylamino)propylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.21761 162.2
[M+Na]+ 268.19955 167.3
[M+NH4]+ 263.24415 167.4
[M+K]+ 284.17349 163.7
[M-H]- 244.20305 161.3
[M+Na-2H]- 266.18500 163.4
[M]+ 245.20978 162.1
[M]- 245.21088 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe